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Molecule
Sodium Bisulfate
CAS: 7681-38-1 · H2NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7681-38-1
- Molecular Formula
- H2NaO4S
- Molecular Mass
- 121.07 g/mol
Identifiers
CAS Registry Number
7681-38-1
SMILES
O=S(=O)(O)O.[Na]
InChI Key
PANBYUAFMMOFOV-UHFFFAOYSA-N
InChI
InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)
Names and Synonyms
- Sodium Bisulfate Synonym
- Sulfuric acid, sodium salt (1:1) Synonym
- Sulfuric acid, monosodium salt Synonym
- Nitre cake Synonym
- Sodium acid sulfate Synonym
- Sodium bisulfate Synonym
- Sodium hydrogen sulfate Synonym
- Niter cake Synonym
- Monosodium sulfate Synonym
- Bisulfate of soda Synonym
- Sodium hydrosulfate Synonym
- Monosodium hydrogen sulfate Synonym
- BIF Synonym
- Fanal Synonym
- WC 00 Synonym
- WC-Klosettreiniger Synonym
- WC-Perfect Synonym
- WC-Super Synonym
- Sodium hydrogen sulfate (NaHSO4) Synonym
- Sodium bisulphate Synonym
- Acid sodium sulfate Synonym
- Monobasic sodium sulfate Synonym
- Printgen N Synonym
- Poultry Litter Treatment Synonym
- SBS Pet Synonym
- pHase (sodium bisulfite) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.07 g/mol | CAS Common Chemistry |
| 121.06899999999997 g/mol | RDKit | |
| 121.069 g/mol | RDKit | |
| 122.07 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_bisulfate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=PANBYUAFMMOFOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium bisulfate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| 74.6 Ų | RDKit | |
| LogP | -1.0335999999999999 | RDKit |
| -1.0336 | RDKit | |
| Molar Refractivity | 19.9314 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 120.95714882400001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 121.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula H2NaO4S.
